2',7'-ditert-butyl-N-(2-dibenzofuran-4-ylphenyl)-N-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)spiro[fluorene-9,9'-xanthene]-2-amine

C84H73NO3 — CID 174287074

IUPAC2',7'-ditert-butyl-N-(2-dibenzofuran-4-ylphenyl)-N-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)spiro[fluorene-9,9'-xanthene]-2-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3O2)c2ccccc2-c2ccc(N(c3ccccc3-c3cccc4c3oc3ccccc34)c3cccc4c3-c3ccccc3C43c4cc(C(C)(C)C)ccc4Oc4ccc(C(C)(C)C)cc43)cc21
InChIInChI=1S/C84H73NO3/c1-79(2,3)50-35-41-73-66(45-50)83(67-46-51(80(4,5)6)36-42-74(67)86-73)63-30-18-14-26-61(63)77-64(83)31-22-33-71(77)85(70-32-19-15-24-57(70)59-27-21-28-60-58-25-16-20-34-72(58)88-78(59)60)54-39-40-56-55-23-13-17-29-62(55)84(65(56)49-54)68-47-52(81(7,8)9)37-43-75(68)87-76-44-38-53(48-69(76)84)82(10,11)12/h13-49H,1-12H3
InChIKeyBGOGLVVBAZVBPY-UHFFFAOYSA-N
MW1144.51 g/mol
LogP22.85
Rot. Bonds4

About 2',7'-ditert-butyl-N-(2-dibenzofuran-4-ylphenyl)-N-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)spiro[fluorene-9,9'-xanthene]-2-amine

2',7'-ditert-butyl-N-(2-dibenzofuran-4-ylphenyl)-N-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)spiro[fluorene-9,9'-xanthene]-2-amine (PubChem CID 174287074) has the molecular formula C84H73NO3 and a molecular weight of 1144.51 g/mol. Its IUPAC name is 2',7'-ditert-butyl-N-(2-dibenzofuran-4-ylphenyl)-N-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)spiro[fluorene-9,9'-xanthene]-2-amine.

Molecular Properties

Compound Name2',7'-ditert-butyl-N-(2-dibenzofuran-4-ylphenyl)-N-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)spiro[fluorene-9,9'-xanthene]-2-amine
PubChem CID174287074
Molecular FormulaC84H73NO3
Molecular Weight1144.51 g/mol
Exact Mass1143.56
IUPAC Name2',7'-ditert-butyl-N-(2-dibenzofuran-4-ylphenyl)-N-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)spiro[fluorene-9,9'-xanthene]-2-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3O2)c2ccccc2-c2ccc(N(c3ccccc3-c3cccc4c3oc3ccccc34)c3cccc4c3-c3ccccc3C43c4cc(C(C)(C)C)ccc4Oc4ccc(C(C)(C)C)cc43)cc21
InChIInChI=1S/C84H73NO3/c1-79(2,3)50-35-41-73-66(45-50)83(67-46-51(80(4,5)6)36-42-74(67)86-73)63-30-18-14-26-61(63)77-64(83)31-22-33-71(77)85(70-32-19-15-24-57(70)59-27-21-28-60-58-25-16-20-34-72(58)88-78(59)60)54-39-40-56-55-23-13-17-29-62(55)84(65(56)49-54)68-47-52(81(7,8)9)37-43-75(68)87-76-44-38-53(48-69(76)84)82(10,11)12/h13-49H,1-12H3
InChIKeyBGOGLVVBAZVBPY-UHFFFAOYSA-N
XLogP22.85
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001144.51
LogP ≤ 522.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2',7'-ditert-butyl-N-(2-dibenzofuran-4-ylphenyl)-N-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)spiro[fluorene-9,9'-xanthene]-2-amine with MolForge

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Related Compounds

2',7'-ditert-butyl-N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 174287009
2',7'-ditert-butyl-N-dibenzofuran-4-yl-N-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 174287136
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-6-amine
CID 171444535
2,7-ditert-butyl-N-(2-dibenzofuran-4-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4'-amine
CID 174287674
2',7'-ditert-butyl-N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-thioxanthene]-2-amine
CID 174290083
N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476554
2',7'-ditert-butyl-N,N-bis(4-dibenzofuran-4-ylphenyl)-9,9'-spirobi[fluorene]-4'-amine
CID 170535488
N-(2-dibenzofuran-4-ylphenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 130309054
2',7'-ditert-butyl-N-(2-carbazol-9-ylphenyl)-N-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174291629
4-N-dibenzofuran-4-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915337
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-6-amine
CID 171444554
2',7'-ditert-butyl-N-dibenzothiophen-1-yl-N-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 174286860

Frequently Asked Questions

What is the IUPAC name of 2',7'-ditert-butyl-N-(2-dibenzofuran-4-ylphenyl)-N-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)spiro[fluorene-9,9'-xanthene]-2-amine?
The IUPAC name of 2',7'-ditert-butyl-N-(2-dibenzofuran-4-ylphenyl)-N-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)spiro[fluorene-9,9'-xanthene]-2-amine (CID 174287074) is 2',7'-ditert-butyl-N-(2-dibenzofuran-4-ylphenyl)-N-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)spiro[fluorene-9,9'-xanthene]-2-amine.
What is the SMILES notation for 2',7'-ditert-butyl-N-(2-dibenzofuran-4-ylphenyl)-N-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)spiro[fluorene-9,9'-xanthene]-2-amine?
The canonical SMILES for 2',7'-ditert-butyl-N-(2-dibenzofuran-4-ylphenyl)-N-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)spiro[fluorene-9,9'-xanthene]-2-amine is CC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3O2)c2ccccc2-c2ccc(N(c3ccccc3-c3cccc4c3oc3ccccc34)c3cccc4c3-c3ccccc3C43c4cc(C(C)(C)C)ccc4Oc4ccc(C(C)(C)C)cc43)cc21.
What is the InChIKey of 2',7'-ditert-butyl-N-(2-dibenzofuran-4-ylphenyl)-N-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)spiro[fluorene-9,9'-xanthene]-2-amine?
The InChIKey is BGOGLVVBAZVBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H73NO3/c1-79(2,3)50-35-41-73-66(45-50)83(67-46-51(80(4,5)6)36-42-74(67)86-73)63-30-18-14-26-61(63)77-64(83)31-22-33-71(77)85(70-32-19-15-24-57(70)59-27-21-28-60-58-25-16-20-34-72(58)88-78(59)60)54-39-40-56-55-23-13-17-29-62(55)84(65(56)49-54)68-47-52(81(7,8)9)37-43-75(68)87-76-44-38-53(48-69(76)84)82(10,11)12/h13-49H,1-12H3.
What are the key properties of 2',7'-ditert-butyl-N-(2-dibenzofuran-4-ylphenyl)-N-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)spiro[fluorene-9,9'-xanthene]-2-amine?
2',7'-ditert-butyl-N-(2-dibenzofuran-4-ylphenyl)-N-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)spiro[fluorene-9,9'-xanthene]-2-amine has a molecular weight of 1144.51 g/mol, XLogP of 22.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2',7'-ditert-butyl-N-(2-dibenzofuran-4-ylphenyl)-N-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)spiro[fluorene-9,9'-xanthene]-2-amine is sourced from PubChem (CID 174287074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).